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	hartrees
Energy at 0K	-225.523236
Energy at 298.15K	-225.529158
HF Energy	-224.736966
Nuclear repulsion energy	165.882785

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3298	3165
2	A₁	3124	2998
3	A₁	1702	1633
4	A₁	1467	1408
5	A₁	1420	1362
6	A₁	1269	1217
7	A₁	1045	1003
8	A₁	933	895
9	A₂	1157	1110
10	A₂	838	804
11	A₂	509	488
12	B₁	3177	3049
13	B₁	1027	986
14	B₁	805	772
15	B₁	329	316
16	B₂	3284	3151
17	B₂	1761	1690
18	B₂	1420	1362
19	B₂	1264	1213
20	B₂	1092	1048
21	B₂	928	890

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.215
N2	0.000	0.998	0.284
N3	0.000	-0.998	0.284
C4	0.000	0.729	-0.956
C5	0.000	-0.729	-0.956
H6	-0.896	0.000	1.838
H7	0.896	0.000	1.838
H8	0.000	1.479	-1.734
H9	0.000	-1.479	-1.734

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3643	1.3643	2.2898	2.2898	1.0917	1.0917	3.2983	3.2983
N2	1.3643		1.9952	1.2688	2.1256	2.0525	2.0525	2.0742	3.1941
N3	1.3643	1.9952		2.1256	1.2688	2.0525	2.0525	3.1941	2.0742
C4	2.2898	1.2688	2.1256		1.4577	3.0233	3.0233	1.0802	2.3404
C5	2.2898	2.1256	1.2688	1.4577		3.0233	3.0233	2.3404	1.0802
H6	1.0917	2.0525	2.0525	3.0233	3.0233		1.7927	3.9680	3.9680
H7	1.0917	2.0525	2.0525	3.0233	3.0233	1.7927		3.9680	3.9680
H8	3.2983	2.0742	3.1941	1.0802	2.3404	3.9680	3.9680		2.9571
H9	3.2983	3.1941	2.0742	2.3404	1.0802	3.9680	3.9680	2.9571

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.785	C1	N3	C5	120.785
N2	C1	N3	93.975	N2	C1	H6	112.917
N2	C1	H7	112.917	N2	C4	C5	102.228
N2	C4	H8	123.821	N3	C1	H6	112.917
N3	C1	H7	112.917	N3	C5	C4	102.228
N3	C5	H9	123.821	C4	C5	H9	133.951
C5	C4	H8	133.951	H6	C1	H7	110.385

All results from a given calculation for C₃H₄N₂ (2H-Imidazole)

using model chemistry: CCSD(T)/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3H4N2 (2H-Imidazole)

using model chemistry: CCSD(T)/6-31+G**

States and conformations

All results from a given calculation for C₃H₄N₂ (2H-Imidazole)